2-[(E)-2-(4-Fluoro-3-methyl-phenyl)-ethenesulfonyl]-1H-benzoimidazole | 639496-00-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-[(E)-2-(4-Fluoro-3-methyl-phenyl)-ethenesulfonyl]-1H-benzoimidazole
• 英文别名: 2-[[(1E)-2-(4-Fluoro-3-methylphenyl)ethenyl]sulfonyl]-1H-benzimidazole；2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]sulfonyl-1H-benzimidazole
• CAS: 639496-00-7
• 化学式: C₁₆H₁₃FN₂O₂S
• 分子量: 316.356
• InChiKey: VOEKKSRCVSCBCP-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  71.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-[(E)-2-(4-Fluoro-3-methyl-phenyl)-ethenesulfonyl]-1-methanesulfonyl-1H-benzoimidazole 在 氢溴酸 、 溶剂黄146 作用下， 以30%的产率得到2-[(E)-2-(4-Fluoro-3-methyl-phenyl)-ethenesulfonyl]-1H-benzoimidazole
  参考文献：
  名称：

  New styryl sulfones as anticancer agents

  摘要：

  New styryl sulfone compounds have been synthesized and evaluated for their anti-proliferative activity. Among the compounds synthesized, one compound (7k) has shown 51% tumor growth inhibition in mice implanted with HT-29 human carcinoma at 400 mg kg(-1) orally. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00144-2

文献信息

• New styryl sulfones as anticancer agents
  作者：Manohar Sharma Vedula、Aravind Babu Pulipaka、Chandrasekhar Venna、Vamsee Krishna Chintakunta、Sreenu Jennepalli、Venkata Adiseshu Kattuboina、Ravi Krishna Vallakati、Vishnu Basetti、Venkateswarlu Akella、Sriram Rajgopal、Ajaya Kumar Reka、Sravan Kumar Teepireddy、Prem Kumar Mamnoor、Ramanujam Rajagopalan、Gopalakrishnan Bulusu、Akash Khandelwal、Vijay V Upreti、Srinivas Rao Mamidi

  DOI：10.1016/s0223-5234(03)00144-2

  日期：2003.9

  New styryl sulfone compounds have been synthesized and evaluated for their anti-proliferative activity. Among the compounds synthesized, one compound (7k) has shown 51% tumor growth inhibition in mice implanted with HT-29 human carcinoma at 400 mg kg(-1) orally. (C) 2003 Editions scientifiques et medicales Elsevier SAS. All rights reserved.